1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol

C19H19F3N4O2 — CID 18532951

IUPAC1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
SMILESOC(CNCCOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1)c1cccnc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18-25-11-16(26-18)13-3-5-15(6-4-13)28-9-8-24-12-17(27)14-2-1-7-23-10-14/h1-7,10-11,17,24,27H,8-9,12H2,(H,25,26)
InChIKeyFVZLAFYXHZWCOL-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.19
Rot. Bonds8

About 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol

1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol (PubChem CID 18532951) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
PubChem CID18532951
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
SMILESOC(CNCCOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1)c1cccnc1
InChIInChI=1S/C19H19F3N4O2/c20-19(21,22)18-25-11-16(26-18)13-3-5-15(6-4-13)28-9-8-24-12-17(27)14-2-1-7-23-10-14/h1-7,10-11,17,24,27H,8-9,12H2,(H,25,26)
InChIKeyFVZLAFYXHZWCOL-UHFFFAOYSA-N
XLogP3.19
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 10201549
(1R)-1-pyridin-3-yl-2-[2-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenoxy]ethylamino]ethanol
CID 10116979
2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide
CID 22560759
(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
CID 10114560
N-[2-(4-methylphenoxy)ethyl]-2-phosphanyloxy-2-pyridin-3-ylethanamine
CID 20620892
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 87975624
N-[2-chloro-5-[(1S)-1-hydroxy-2-[2-[4-(2-pyridin-4-yl-1H-imidazol-5-yl)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10208583
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol
CID 87975517
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
The IUPAC name of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol (CID 18532951) is 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol.
What is the SMILES notation for 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
The canonical SMILES for 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol is OC(CNCCOc1ccc(-c2cnc(C(F)(F)F)[nH]2)cc1)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
The InChIKey is FVZLAFYXHZWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c20-19(21,22)18-25-11-16(26-18)13-3-5-15(6-4-13)28-9-8-24-12-17(27)14-2-1-7-23-10-14/h1-7,10-11,17,24,27H,8-9,12H2,(H,25,26).
What are the key properties of 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol?
1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol has a molecular weight of 392.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol is sourced from PubChem (CID 18532951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).